BDBM50109808 3-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(4-dimethylamino-phenyl)-3H-quinazolin-4-one::CHEMBL347672

SMILES: CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2ccccc2C1

InChI Key: InChIKey=FYTMEAIABFTWAV-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50109808   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM50109808 (3-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(4...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2ccccc2C1 Show InChI InChI=1S/C27H28N4O/c1-29(2)23-13-11-21(12-14-23)26-28-25-10-6-5-9-24(25)27(32)31(26)18-17-30-16-15-20-7-3-4-8-22(20)19-30/h3-14H,15-19H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.				Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50109808 (3-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(4...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2ccccc2C1 Show InChI InChI=1S/C27H28N4O/c1-29(2)23-13-11-21(12-14-23)26-28-25-10-6-5-9-24(25)27(32)31(26)18-17-30-16-15-20-7-3-4-8-22(20)19-30/h3-14H,15-19H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells				Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9
					More data for this Ligand-Target Pair